Crystallography Open Database

Information card for entry 7244396

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Coordinates	7244396.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H18 N6 O4 Zn
Calculated formula	C27 H18 N6 O4 Zn
Title of publication	Stable bifunctional ZnII-based sensor toward acetylacetone and l-histidine via a fluorescence red shift and turn-on effect
Authors of publication	Yao, Shu-Li; Xu, Hui; Zheng, Teng-Fei; Peng, Yan; Liu, Sui-Jun; Chen, Jing-Lin; Wen, He-Rui
Journal of publication	CrystEngComm
Year of publication	2022
a	10.1975 ± 0.0003 Å
b	10.1011 ± 0.0003 Å
c	11.0443 ± 0.0003 Å
α	90°
β	98.516 ± 0.001°
γ	90°
Cell volume	1125.09 ± 0.06 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0316
Residual factor for significantly intense reflections	0.0262
Weighted residual factors for significantly intense reflections	0.0741
Weighted residual factors for all reflections included in the refinement	0.0789
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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